(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide

C17H18N6O2 — CID 136911606

IUPAC(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)CNC(=O)/C=C\c3ccccc3)c12
InChIInChI=1S/C17H18N6O2/c1-11-15-16(20-21-17(15)23(2)22-11)19-14(25)10-18-13(24)9-8-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,24)(H2,19,20,21,25)/b9-8-
InChIKeyXINUASVEYQPNSV-HJWRWDBZSA-N
MW338.37 g/mol
LogP1.37
Rot. Bonds5

About (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide

(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 136911606) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID136911606
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)CNC(=O)/C=C\c3ccccc3)c12
InChIInChI=1S/C17H18N6O2/c1-11-15-16(20-21-17(15)23(2)22-11)19-14(25)10-18-13(24)9-8-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,24)(H2,19,20,21,25)/b9-8-
InChIKeyXINUASVEYQPNSV-HJWRWDBZSA-N
XLogP1.37
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 136911606) is (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide is Cc1nn(C)c2n[nH]c(NC(=O)CNC(=O)/C=C\c3ccccc3)c12.
What is the InChIKey of (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is XINUASVEYQPNSV-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-15-16(20-21-17(15)23(2)22-11)19-14(25)10-18-13(24)9-8-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,24)(H2,19,20,21,25)/b9-8-.
What are the key properties of (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide?
(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 338.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 136911606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).